2-[5-Acetamido-2-carboxy-2-[[6-[3,4-dihydroxy-2-(2-hydroxytricosanoylamino)-17-methyloctadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-4-hydroxy-5-[[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyacetyl]amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: 2-[5-Acetamido-2-carboxy-2-[[6-[3,4-dihydroxy-2-(2-hydroxytricosanoylamino)-17-methyloctadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-4-hydroxy-5-[[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyacetyl]amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 英文别名: 2-[5-acetamido-2-carboxy-2-[[6-[3,4-dihydroxy-2-(2-hydroxytricosanoylamino)-17-methyloctadecoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(1,2,3-trihydroxypropyl)oxan-4-yl]oxy-4-hydroxy-5-[[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyacetyl]amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
• 化学式: C₇₆H₁₃₉N₃O₃₁
• 分子量: 1590.9
• InChiKey: KYHXVUIECRKJNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  110
• 可旋转键数：
  58
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  559
• 氢给体数：
  21
• 氢受体数：
  31